1-Propyl-1H-1,2,3-benzotriazole
TL;DR: 1-Propyl-1H-1,2,3-benzotriazole (CAS 16584-02-4) is a chemical compound with molecular formula C9H11N3 and molecular weight 161.09529 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-propylbenzotriazole
Also Known As: 1-propylbenzotriazole, 1-Propyl-1H-1,2,3-benzotriazole, starbld0041023, 1-propyl-1H-benzotriazole, 1-Propyl-1H-benzo[d][1,2,3]triazole
Technical Specifications
| Molecular Formula | C9H11N3 |
| Molecular Weight | 161.09529 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.09529 Da |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
| SMILES | CCCN1C2=CC=CC=C2N=N1 |
| InChIKey | KMHKYOIGRHFJBP-UHFFFAOYSA-N |
Chemical Property Profile of 1-Propyl-1H-1,2,3-benzotriazole
Property Insights of 1-Propyl-1H-1,2,3-benzotriazole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propyl-1H-1,2,3-benzotriazole. With a topological polar surface area (TPSA) of 30.7 Ų, 1-Propyl-1H-1,2,3-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propyl-1H-1,2,3-benzotriazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Propyl-1H-1,2,3-benzotriazole?
The CAS number of 1-Propyl-1H-1,2,3-benzotriazole is 16584-02-4.
What is the molecular formula of 1-Propyl-1H-1,2,3-benzotriazole?
The molecular formula of 1-Propyl-1H-1,2,3-benzotriazole is C9H11N3.
What is the molecular weight of 1-Propyl-1H-1,2,3-benzotriazole?
The molecular weight of 1-Propyl-1H-1,2,3-benzotriazole is 161.09529 g/mol.
Where can I buy 1-Propyl-1H-1,2,3-benzotriazole?
You can request a quote for 1-Propyl-1H-1,2,3-benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Propyl-1H-1,2,3-benzotriazole?
Yes, CoreyChem provides custom synthesis services for 1-Propyl-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.